ethyl 1-(cyclohexanecarbonyl)pyrrolidine-2-carboxylate

C14H23NO3 — CID 54979384

IUPACethyl 1-(cyclohexanecarbonyl)pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1C(=O)C1CCCCC1
InChIInChI=1S/C14H23NO3/c1-2-18-14(17)12-9-6-10-15(12)13(16)11-7-4-3-5-8-11/h11-12H,2-10H2,1H3
InChIKeyYSHYBOANKZNAAU-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.12
Rot. Bonds3

About ethyl 1-(cyclohexanecarbonyl)pyrrolidine-2-carboxylate

ethyl 1-(cyclohexanecarbonyl)pyrrolidine-2-carboxylate (PubChem CID 54979384) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is ethyl 1-(cyclohexanecarbonyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(cyclohexanecarbonyl)pyrrolidine-2-carboxylate
PubChem CID54979384
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Nameethyl 1-(cyclohexanecarbonyl)pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1C(=O)C1CCCCC1
InChIInChI=1S/C14H23NO3/c1-2-18-14(17)12-9-6-10-15(12)13(16)11-7-4-3-5-8-11/h11-12H,2-10H2,1H3
InChIKeyYSHYBOANKZNAAU-UHFFFAOYSA-N
XLogP2.12
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(cyclohexanecarbonyl)pyrrolidine-2-carboxylate?
The IUPAC name of ethyl 1-(cyclohexanecarbonyl)pyrrolidine-2-carboxylate (CID 54979384) is ethyl 1-(cyclohexanecarbonyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl 1-(cyclohexanecarbonyl)pyrrolidine-2-carboxylate?
The canonical SMILES for ethyl 1-(cyclohexanecarbonyl)pyrrolidine-2-carboxylate is CCOC(=O)C1CCCN1C(=O)C1CCCCC1.
What is the InChIKey of ethyl 1-(cyclohexanecarbonyl)pyrrolidine-2-carboxylate?
The InChIKey is YSHYBOANKZNAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-2-18-14(17)12-9-6-10-15(12)13(16)11-7-4-3-5-8-11/h11-12H,2-10H2,1H3.
What are the key properties of ethyl 1-(cyclohexanecarbonyl)pyrrolidine-2-carboxylate?
ethyl 1-(cyclohexanecarbonyl)pyrrolidine-2-carboxylate has a molecular weight of 253.34 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(cyclohexanecarbonyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 54979384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).